CAS
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3-(Allyl-phenyl-sulfamoyl)-benzoic acid
Catalog Number
ACMA00001175
Category
Amines
Molecular Weight
317.36
Molecular Formula
C16H11N
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Specification
Hazard Statements
H314
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of the compound?
The molecular formula is C16H15NO4S.
What are the synonyms of the compound?
The synonyms of the compound are 3-[phenyl(prop-2-en-1-yl)sulfamoyl]benzoic acid, 750613-84-4, 3-(Allyl-phenyl-sulfamoyl)-benzoic acid, MLS000570026, and 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 317.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H15NO4S/c1-2-11-17(14-8-4-3-5-9-14)22(20,21)15-10-6-7-13(12-15)16(18)19/h2-10,12H,1,11H2,(H,18,19).
What is the InChIKey of the compound?
The InChIKey of the compound is FOCXDNHATGXDNM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 6 rotatable bond count.
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